| SpectraBase Compound ID | L0EEzyWfOYE |
|---|---|
| InChI | InChI=1S/C33H56O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-33(34)35-29-32(5)27-23-26-31(4)25-22-24-30(3)7-2/h7,22,24-25,27H,2,4,6,8-21,23,26,28-29H2,1,3,5H3/b25-22+,30-24-,32-27- |
| InChIKey | FMGXZDLSXUBQHR-AFMPTWKXSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C33H56O2 |
| Exact Mass | 484.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F3WZOsVxwlh |
|---|---|
| Name | Porninsol stearate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 484.428031041 u |
| Formula | C33H56O2 |
| InChI | InChI=1S/C33H56O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-33(34)35-29-32(5)27-23-26-31(4)25-22-24-30(3)7-2/h7,22,24-25,27H,2,4,6,8-21,23,26,28-29H2,1,3,5H3/b25-22+,30-24-,32-27- |
| InChIKey | FMGXZDLSXUBQHR-AFMPTWKXSA-N |
| Molecular Weight | 484.809 g/mol |
| SMILES | C(\C(=C/C=C/C(=C)CC\C=C/(COC(=O)CCCCCCCCCCCCCCCCC)C)C)=C |